#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s GLN 3 N 0.00 1.68 -0.13 5.31 -0.21 -1.26 -4.68 119.66 120.37 3knh s GLN 3 Ca 0.00 -1.47 -0.28 0.00 0.02 0.00 0.00 55.36 53.63 3knh s GLN 3 Cb 0.00 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 3knh s GLN 3 CO 0.00 -0.76 0.94 0.71 -2.12 0.00 0.00 175.29 174.05 3knh s TYR 4 N 1.12 3.48 0.15 0.91 1.51 -1.25 -4.88 117.35 118.38 3knh s TYR 4 Ca 0.01 1.46 0.10 0.00 -1.01 0.00 0.00 57.07 57.64 3knh s TYR 4 Cb -0.19 -3.11 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 3knh s TYR 4 CO -0.08 -0.22 -0.24 -0.47 -1.11 0.00 0.00 175.55 173.43 3knh s TYR 5 N 2.03 2.14 -0.06 2.71 6.14 -1.25 -1.16 117.35 127.90 3knh s TYR 5 Ca 0.44 -0.39 -0.30 0.00 0.64 0.00 0.00 57.07 57.46 3knh s TYR 5 Cb -0.18 -1.12 0.09 0.00 0.42 0.00 0.00 41.96 41.17 3knh s TYR 5 CO 0.16 0.36 0.77 0.20 0.64 0.00 0.00 175.55 177.67 3knh s GLY 6 N -2.27 -0.49 -0.37 8.97 0.00 -0.42 -3.41 107.32 109.33 3knh s GLY 6 Ca 0.14 1.44 -0.03 0.00 0.00 0.00 0.00 44.72 46.27 3knh s GLY 6 CO 0.07 0.89 0.13 -1.59 0.00 0.00 0.00 173.10 172.60 3knh s THR 7 N -1.45 3.20 -0.01 0.90 2.01 -1.26 0.06 115.64 119.09 3knh s THR 7 Ca -0.07 -1.80 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 3knh s THR 7 Cb -0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3knh s THR 7 CO 0.05 -0.48 0.76 -0.83 -0.69 0.00 0.00 174.62 173.43 3knh s GLY 8 N 1.59 2.72 -0.14 4.40 0.00 0.78 -3.97 107.32 112.70 3knh s GLY 8 Ca 0.04 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 3knh s GLY 8 CO -0.03 1.20 0.36 -1.60 0.00 0.00 0.00 173.10 173.03 3knh s ARG 9 N 0.47 0.39 -0.30 2.90 3.52 -1.18 0.14 118.95 124.90 3knh s ARG 9 Ca 0.40 0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 56.51 3knh s ARG 9 Cb -0.19 0.10 0.15 0.00 -1.56 0.00 0.00 34.95 33.45 3knh s ARG 9 CO 0.21 -0.10 0.67 0.50 -0.81 0.00 0.00 175.30 175.78 3knh s ARG 10 N 0.68 0.54 -0.56 5.12 3.52 -0.19 -4.67 118.95 123.40 3knh s ARG 10 Ca -0.04 1.23 -0.11 0.00 -0.13 0.00 0.00 55.73 56.68 3knh s ARG 10 Cb -0.05 0.73 0.01 0.00 -1.56 0.00 0.00 34.95 34.08 3knh s ARG 10 CO -0.05 -0.33 0.64 1.17 -0.81 0.00 0.00 175.30 175.93 3knh n LYS 11 N 5.41 -1.93 -0.19 5.12 4.81 -1.26 -2.23 118.16 127.89 3knh n LYS 11 Ca -0.08 1.78 0.00 0.00 -0.87 0.00 0.00 58.31 59.14 3knh n LYS 11 Cb 0.50 -5.30 0.00 0.00 0.02 0.00 0.00 35.03 30.25 3knh n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3knh n GLU 12 N -0.94 0.00 -3.23 1.64 -0.58 -1.26 -4.50 120.64 111.76 3knh n GLU 12 Ca 0.04 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.39 3knh n GLU 12 Cb 0.50 -2.39 -0.07 0.00 -0.57 0.00 0.00 31.44 28.92 3knh n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knh s ALA 13 N -0.42 3.55 0.14 0.62 0.00 -0.95 -3.83 121.76 120.87 3knh s ALA 13 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.64 3knh s ALA 13 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3knh s ALA 13 CO 0.00 -0.47 -0.08 0.08 0.00 0.00 0.00 175.76 175.29 3knh s VAL 14 N 1.70 3.38 -0.11 0.00 1.01 -0.30 -1.02 120.40 125.06 3knh s VAL 14 Ca 0.24 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 3knh s VAL 14 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.63 3knh s VAL 14 CO 0.10 0.01 0.30 0.00 0.00 0.00 0.00 175.10 175.50 3knh s ALA 15 N -1.45 -0.74 -0.23 5.51 0.00 0.37 -1.20 121.76 124.01 3knh s ALA 15 Ca 0.23 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 53.03 3knh s ALA 15 Cb -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3knh s ALA 15 CO 0.15 -0.15 0.02 1.03 0.00 0.00 0.00 175.76 176.81 3knh s ARG 16 N 0.32 3.54 -0.33 0.00 0.52 0.11 -0.15 118.95 122.96 3knh s ARG 16 Ca -0.01 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 3knh s ARG 16 Cb -0.03 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 3knh s ARG 16 CO -0.01 -0.18 0.22 0.08 0.02 0.00 0.00 175.30 175.43 3knh s VAL 17 N 1.52 5.11 -0.12 3.52 1.01 0.11 -2.39 120.40 129.16 3knh s VAL 17 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 3knh s VAL 17 Cb -0.15 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3knh s VAL 17 CO 0.01 0.00 -0.09 -0.36 0.00 0.00 0.00 175.10 174.66 3knh s PHE 18 N 1.69 1.61 0.37 5.22 2.99 -1.20 -1.30 117.98 127.36 3knh s PHE 18 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 56.93 56.24 3knh s PHE 18 Cb -0.17 -1.30 -0.03 0.00 0.00 0.00 0.00 43.02 41.52 3knh s PHE 18 CO 0.09 -0.54 0.25 -0.51 -0.00 0.00 0.00 175.22 174.51 3knh s LEU 19 N 1.64 3.35 -0.26 -0.37 1.43 -0.31 -2.92 118.68 121.23 3knh s LEU 19 Ca 0.04 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 3knh s LEU 19 Cb -0.13 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.35 3knh s LEU 19 CO -0.08 -0.45 0.50 -0.13 0.23 0.00 0.00 176.35 176.41 3knh s ARG 20 N -3.97 0.45 1.05 1.70 3.00 -1.26 -3.89 118.95 116.02 3knh s ARG 20 Ca 0.42 0.92 -0.13 0.00 0.00 0.00 0.00 55.73 56.94 3knh s ARG 20 Cb -0.02 0.21 0.16 0.00 0.00 0.00 0.00 34.95 35.30 3knh s ARG 20 CO 0.25 -0.49 0.70 -2.30 0.00 0.00 0.00 175.30 173.46 3knh n PRO 21 N 5.40 -1.26 0.00 3.54 -0.02 -1.25 0.31 135.00 141.71 3knh n PRO 21 Ca -0.05 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 3knh n PRO 21 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3knh n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knh n GLY 22 N 1.14 0.04 0.00 -1.23 0.00 0.31 -4.51 105.19 100.94 3knh n GLY 22 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3knh n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knh n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.26 -3.24 115.26 117.40 3knh n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3knh n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3knh n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knh n GLY 24 N 0.00 1.34 3.39 7.41 0.00 -1.00 -4.27 105.19 112.06 3knh n GLY 24 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3knh n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knh n LYS 25 N 0.00 0.34 -4.34 1.61 2.85 -1.26 -4.36 118.16 113.00 3knh n LYS 25 Ca 0.00 0.13 -0.29 0.00 -1.05 0.00 0.00 58.31 57.10 3knh n LYS 25 Cb 0.00 -1.33 -0.12 0.00 -0.65 0.00 0.00 35.03 32.93 3knh n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3knh s VAL 26 N -1.60 2.61 -0.12 0.58 1.01 -1.26 -2.89 120.40 118.73 3knh s VAL 26 Ca 0.62 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 3knh s VAL 26 Cb -0.59 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3knh s VAL 26 CO 0.60 0.06 0.30 -0.89 0.00 0.00 0.00 175.10 175.17 3knh s THR 27 N -1.19 -0.03 -0.11 3.92 2.01 0.13 -0.42 115.64 119.95 3knh s THR 27 Ca 0.17 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.29 3knh s THR 27 Cb -0.10 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 3knh s THR 27 CO 0.09 0.04 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.20 3knh s VAL 28 N 1.06 2.67 -1.27 3.82 1.01 0.11 -0.37 120.40 127.44 3knh s VAL 28 Ca -0.07 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3knh s VAL 28 Cb -0.08 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.25 3knh s VAL 28 CO -0.08 0.55 0.58 0.59 0.00 0.00 0.00 175.10 176.74 3knh n ASN 29 N 3.35 -3.26 -3.75 3.32 3.02 -1.08 -1.50 115.26 115.36 3knh n ASN 29 Ca -0.18 -1.22 -0.27 0.00 -0.03 0.00 0.00 54.58 52.88 3knh n ASN 29 Cb 0.53 -2.09 0.05 0.00 -0.61 0.00 0.00 39.78 37.66 3knh n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knh n GLY 30 N -2.09 -0.51 3.54 7.41 0.00 -1.26 -4.97 105.19 107.30 3knh n GLY 30 Ca -0.16 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3knh n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3knh s GLN 31 N -6.42 0.65 0.25 1.61 0.74 -0.56 -5.13 119.66 110.79 3knh s GLN 31 Ca 0.59 1.05 -0.29 0.00 0.05 0.00 0.00 55.36 56.76 3knh s GLN 31 Cb -0.28 0.16 -0.15 0.00 1.10 0.00 0.00 33.01 33.84 3knh s GLN 31 CO 0.78 -0.14 0.94 -3.47 -0.55 0.00 0.00 175.29 172.85 3knh n ASP 32 N 3.93 0.82 -0.22 6.67 -0.08 -1.26 0.09 116.55 126.50 3knh n ASP 32 Ca -0.19 1.16 -0.07 0.00 -1.51 0.00 0.00 54.79 54.18 3knh n ASP 32 Cb 0.57 -1.21 -0.06 0.00 2.34 0.00 0.00 41.12 42.76 3knh n ASP 32 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3knh h PHE 33 N 2.00 -1.14 -0.84 -0.67 3.57 -1.06 -1.68 116.94 117.13 3knh h PHE 33 Ca -0.38 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 3knh h PHE 33 Cb 1.36 0.57 -0.04 0.00 2.79 0.00 0.00 35.95 40.63 3knh h PHE 33 CO 0.47 -0.24 0.49 -0.91 -2.23 0.00 0.00 178.31 175.90 3knh h ASN 34 N -0.05 1.03 0.32 0.41 4.21 -1.89 -0.53 115.58 119.08 3knh h ASN 34 Ca 0.09 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3knh h ASN 34 Cb 0.27 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3knh h ASN 34 CO -0.53 0.81 0.00 1.21 -1.29 0.00 0.00 177.43 177.63 3knh n GLU 35 N -4.42 0.06 -0.00 0.81 2.13 -0.85 -0.77 120.64 117.60 3knh n GLU 35 Ca 0.09 0.41 -0.09 0.00 0.66 0.00 0.00 57.16 58.23 3knh n GLU 35 Cb 0.07 -1.63 -0.14 0.00 0.27 0.00 0.00 31.44 30.01 3knh n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3knh h TYR 36 N 0.00 0.03 -1.47 4.31 3.20 -0.20 -3.35 116.97 119.48 3knh h TYR 36 Ca 0.00 -0.02 -0.56 0.00 3.14 0.00 0.00 58.73 61.28 3knh h TYR 36 Cb 0.16 -0.00 -0.42 0.00 1.54 0.00 0.00 36.73 38.01 3knh h TYR 36 CO 0.00 1.03 -0.78 1.19 -1.64 0.00 0.00 178.16 177.96 3knh n PHE 37 N -3.12 3.17 -1.52 -3.82 0.99 -0.27 -5.04 117.46 107.85 3knh n PHE 37 Ca -0.14 -3.09 -0.30 0.00 -0.00 0.00 0.00 57.45 53.91 3knh n PHE 37 Cb 1.03 -0.12 -0.12 0.00 -1.00 0.00 0.00 39.48 39.27 3knh n PHE 37 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3knh n GLN 38 N -0.43 0.36 -1.14 -1.08 0.00 0.05 -0.35 117.38 114.79 3knh n GLN 38 Ca 0.36 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.00 57.17 3knh n GLN 38 Cb 0.68 -2.28 -0.01 0.00 0.00 0.00 0.00 30.24 28.63 3knh n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3knh n GLY 39 N 6.20 0.54 3.45 1.69 0.00 -1.26 -4.97 105.19 110.84 3knh n GLY 39 Ca 0.56 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3knh n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knh s LEU 40 N -0.55 4.68 0.00 0.99 1.43 0.53 -4.89 118.68 120.86 3knh s LEU 40 Ca 0.00 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 3knh s LEU 40 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3knh s LEU 40 CO 0.00 -1.27 0.57 0.52 0.23 0.00 0.00 176.35 176.40 3knh n VAL 41 N 5.77 0.46 -0.11 -1.59 0.31 -1.26 -1.50 118.33 120.41 3knh n VAL 41 Ca 0.09 0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 64.72 3knh n VAL 41 Cb 0.47 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 3knh n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knh n ARG 42 N -1.07 0.68 -0.16 5.55 0.63 -1.26 -4.57 116.66 116.46 3knh n ARG 42 Ca 0.00 0.10 0.04 0.00 -0.92 0.00 0.00 57.85 57.07 3knh n ARG 42 Cb 0.33 -1.45 0.08 0.00 0.45 0.00 0.00 32.46 31.87 3knh n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh n ALA 43 N -3.05 0.14 -0.32 5.13 0.00 -0.56 0.14 120.51 121.98 3knh n ALA 43 Ca -0.38 0.48 0.19 0.00 0.00 0.00 0.00 53.44 53.74 3knh n ALA 43 Cb 0.95 -0.31 0.37 0.00 0.00 0.00 0.00 19.45 20.47 3knh n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3knh n VAL 44 N -4.66 -0.40 -0.01 0.00 0.24 -1.26 -2.12 118.33 110.13 3knh n VAL 44 Ca 0.08 2.04 -0.15 0.00 -2.04 0.00 0.00 64.34 64.27 3knh n VAL 44 Cb 0.25 -3.08 -0.10 0.00 -1.47 0.00 0.00 33.84 29.45 3knh n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knh h ALA 45 N 1.90 -0.87 0.00 2.33 0.00 0.86 -3.12 119.26 120.36 3knh h ALA 45 Ca 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3knh h ALA 45 Cb 1.49 1.00 0.00 0.00 0.00 0.00 0.00 17.79 20.28 3knh h ALA 45 CO -0.84 -1.08 0.00 0.00 0.00 0.00 0.00 179.25 177.32 3knh n ALA 46 N -3.00 1.46 -0.25 0.00 0.00 -0.90 0.15 120.51 117.96 3knh n ALA 46 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3knh n ALA 46 Cb 0.38 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3knh n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knh n LEU 47 N 1.93 0.00 -0.19 0.00 4.32 -1.18 -4.39 117.00 117.49 3knh n LEU 47 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3knh n LEU 47 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 3knh n LEU 47 CO 0.00 0.00 1.04 -0.08 -1.22 0.00 0.00 177.39 177.14 3knh h GLU 48 N 0.00 0.55 0.00 3.23 4.57 0.12 -2.80 114.58 120.24 3knh h GLU 48 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3knh h GLU 48 Cb 0.06 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3knh h GLU 48 CO 0.00 0.36 0.00 -0.35 -1.18 0.00 0.00 179.01 177.84 3knh n PRO 49 N -4.85 0.00 -0.02 0.92 -0.04 -1.26 0.93 135.00 130.68 3knh n PRO 49 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 3knh n PRO 49 Cb 0.14 -0.98 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 3knh n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3knh n LEU 50 N 0.08 0.00 -0.09 1.53 4.77 -1.06 -4.12 117.00 118.12 3knh n LEU 50 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3knh n LEU 50 Cb 0.00 0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.39 3knh n LEU 50 CO 0.00 0.07 0.96 0.03 -1.33 0.00 0.00 177.39 177.12 3knh h ARG 51 N 0.00 0.74 -0.97 3.23 -0.00 0.41 1.48 114.38 119.27 3knh h ARG 51 Ca -0.08 -0.15 0.02 0.00 -0.50 0.00 0.00 59.98 59.26 3knh h ARG 51 Cb 1.15 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 30.96 3knh h ARG 51 CO 0.00 0.69 0.64 0.00 0.00 0.00 0.00 179.97 181.30 3knh h ALA 52 N 1.38 1.25 -1.96 0.04 0.00 -1.72 -3.28 119.26 114.98 3knh h ALA 52 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3knh h ALA 52 Cb 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3knh h ALA 52 CO 0.00 0.57 0.00 1.33 0.00 0.00 0.00 179.25 181.16 3knh n VAL 53 N -4.44 0.00 0.00 0.00 0.24 -0.71 -5.01 118.33 108.42 3knh n VAL 53 Ca 0.12 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3knh n VAL 53 Cb 0.05 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3knh n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3knh n ASP 54 N -1.20 0.00 -4.55 -1.34 8.00 0.50 -5.06 116.55 112.90 3knh n ASP 54 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 3knh n ASP 54 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3knh n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knh s ALA 55 N 0.00 2.04 -0.01 2.24 0.00 -1.10 -4.50 121.76 120.42 3knh s ALA 55 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.17 3knh s ALA 55 Cb 0.00 -4.37 -0.11 0.00 0.00 0.00 0.00 23.12 18.64 3knh s ALA 55 CO 0.00 -4.13 0.16 -0.11 0.00 0.00 0.00 175.76 171.67 3knh n LEU 56 N 13.09 0.00 -2.74 0.00 0.00 -1.26 -4.55 117.00 121.54 3knh n LEU 56 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 56.01 56.17 3knh n LEU 56 Cb 0.51 0.00 0.09 0.00 0.00 0.00 0.00 43.42 44.02 3knh n LEU 56 CO 0.68 0.00 0.34 0.61 0.00 0.00 0.00 177.39 179.03 3knh n GLY 57 N 2.09 0.78 0.00 -3.96 0.00 -1.26 -4.91 105.19 97.92 3knh n GLY 57 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3knh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knh n HIS 58 N 0.23 0.00 -3.94 1.61 -0.00 -1.24 -4.61 115.22 107.28 3knh n HIS 58 Ca 0.05 -0.18 -0.10 0.00 -0.00 0.00 0.00 57.72 57.50 3knh n HIS 58 Cb 0.72 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 30.62 3knh n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3knh s PHE 59 N -0.35 0.35 -0.28 4.41 0.40 -1.20 -0.53 117.98 120.78 3knh s PHE 59 Ca 0.00 -0.72 0.08 0.00 -0.60 0.00 0.00 56.93 55.69 3knh s PHE 59 Cb 0.00 -0.02 0.45 0.00 0.51 0.00 0.00 43.02 43.96 3knh s PHE 59 CO 0.00 -0.73 1.23 -0.25 0.70 0.00 0.00 175.22 176.17 3knh n ASP 60 N -0.22 3.98 0.00 1.36 9.92 0.15 -2.37 116.55 129.37 3knh n ASP 60 Ca -0.08 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.38 3knh n ASP 60 Cb 0.63 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3knh n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knh n ALA 61 N -0.85 -0.18 -3.72 2.24 0.00 -1.14 -4.39 120.51 112.47 3knh n ALA 61 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 3knh n ALA 61 Cb 0.88 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.17 3knh n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3knh s TYR 62 N 0.00 1.11 -0.04 0.00 5.04 -1.15 0.22 117.35 122.53 3knh s TYR 62 Ca 0.00 -1.01 0.04 0.00 -2.44 0.00 0.00 57.07 53.66 3knh s TYR 62 Cb 0.00 -1.14 -0.00 0.00 0.35 0.00 0.00 41.96 41.17 3knh s TYR 62 CO 0.00 -0.67 -0.16 0.42 -1.34 0.00 0.00 175.55 173.80 3knh s ILE 63 N 1.83 1.36 -0.11 3.14 1.01 0.50 -3.25 121.20 125.69 3knh s ILE 63 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3knh s ILE 63 Cb -0.17 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3knh s ILE 63 CO -0.13 0.39 0.04 0.28 0.00 0.00 0.00 174.94 175.53 3knh s THR 64 N 0.00 4.62 -0.02 2.92 -1.32 -1.00 -2.62 115.64 118.22 3knh s THR 64 Ca -0.02 -0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.35 3knh s THR 64 Cb -0.11 -2.98 0.01 0.00 -1.51 0.00 0.00 72.50 67.91 3knh s THR 64 CO 0.02 0.59 -0.06 0.54 -2.21 0.00 0.00 174.62 173.50 3knh s VAL 65 N -0.72 0.52 -0.02 5.08 0.11 -1.26 -0.71 120.40 123.40 3knh s VAL 65 Ca 0.12 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 3knh s VAL 65 Cb -0.12 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3knh s VAL 65 CO 0.02 0.18 0.02 -0.13 -3.33 0.00 0.00 175.10 171.87 3knh s ARG 66 N 0.27 0.02 0.00 1.54 0.52 -0.34 -4.98 118.95 115.98 3knh s ARG 66 Ca -0.03 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 3knh s ARG 66 Cb -0.07 -0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.12 3knh s ARG 66 CO -0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3knh n GLY 67 N 4.13 2.37 7.00 -3.53 0.00 -1.26 -1.15 105.19 112.74 3knh n GLY 67 Ca -0.27 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3knh n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 68 N 1.58 0.80 3.06 -0.02 0.00 -1.25 -4.13 105.19 105.22 3knh n GLY 68 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3knh n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knh s GLY 69 N -0.16 0.26 0.55 -0.02 0.00 -1.26 -5.00 107.32 101.69 3knh s GLY 69 Ca 0.00 -0.69 0.48 0.00 0.00 0.00 0.00 44.72 44.52 3knh s GLY 69 CO 0.00 -0.79 1.59 0.50 0.00 0.00 0.00 173.10 174.40 3knh h LYS 70 N 3.96 0.00 0.09 2.90 1.57 -1.98 0.15 116.57 123.26 3knh h LYS 70 Ca -0.33 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3knh h LYS 70 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3knh h LYS 70 CO 0.50 0.00 -0.04 1.03 -0.57 0.00 0.00 179.45 180.36 3knh h SER 71 N 0.00 -0.11 -0.97 0.86 0.87 -1.99 -2.09 113.55 110.13 3knh h SER 71 Ca 0.91 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.60 3knh h SER 71 Cb 3.60 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 65.45 3knh h SER 71 CO -0.04 -0.01 -0.47 1.23 -0.53 0.00 0.00 176.83 177.01 3knh h GLY 72 N -0.25 -0.30 -0.35 5.77 0.00 -1.40 1.09 103.07 107.63 3knh h GLY 72 Ca -0.01 0.63 0.10 0.00 0.00 0.00 0.00 47.33 48.05 3knh h GLY 72 CO 0.02 -0.11 -0.30 1.46 0.00 0.00 0.00 176.54 177.61 3knh h GLN 73 N -0.01 -0.14 -0.05 4.80 4.20 -1.15 3.37 115.11 126.12 3knh h GLN 73 Ca 0.27 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.02 3knh h GLN 73 Cb 0.53 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 3knh h GLN 73 CO -0.95 -0.10 -0.47 0.82 -0.67 0.00 0.00 178.83 177.45 3knh h ILE 74 N -0.15 0.08 -0.72 2.54 2.04 0.18 0.91 117.51 122.39 3knh h ILE 74 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.13 3knh h ILE 74 Cb 0.54 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3knh h ILE 74 CO -0.65 0.00 0.45 0.44 0.00 0.00 0.00 178.15 178.39 3knh h ASP 75 N -0.59 0.73 -0.13 1.72 3.32 0.12 -1.18 116.42 120.42 3knh h ASP 75 Ca 0.04 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3knh h ASP 75 Cb 0.68 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.01 3knh h ASP 75 CO -0.37 0.50 -0.40 0.00 -1.72 0.00 0.00 179.24 177.25 3knh h ALA 76 N 1.31 -0.55 -0.16 3.45 0.00 0.83 -1.79 119.26 122.35 3knh h ALA 76 Ca 0.29 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3knh h ALA 76 Cb 0.04 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3knh h ALA 76 CO -0.12 -0.90 -0.37 0.82 0.00 0.00 0.00 179.25 178.68 3knh h ILE 77 N -0.48 0.21 -1.76 0.00 2.04 0.15 0.26 117.51 117.93 3knh h ILE 77 Ca 0.08 0.00 0.51 0.00 1.00 0.00 0.00 64.86 66.45 3knh h ILE 77 Cb 0.61 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 3knh h ILE 77 CO -0.39 0.00 1.26 0.50 0.00 0.00 0.00 178.15 179.53 3knh h LYS 78 N -0.43 0.01 0.11 2.37 3.64 -0.40 1.02 116.57 122.88 3knh h LYS 78 Ca 0.09 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3knh h LYS 78 Cb 0.59 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3knh h LYS 78 CO -0.39 0.00 -0.05 1.25 -2.27 0.00 0.00 179.45 177.99 3knh h LEU 79 N 0.01 -0.13 -1.11 5.20 7.12 0.05 -2.96 115.31 123.49 3knh h LEU 79 Ca 0.85 -0.24 0.14 0.00 0.13 0.00 0.00 57.88 58.77 3knh h LEU 79 Cb 3.37 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 43.45 3knh h LEU 79 CO -0.04 0.46 0.61 1.23 -0.13 0.00 0.00 178.44 180.57 3knh h GLY 80 N -1.00 1.51 0.23 3.75 0.00 0.16 -1.77 103.07 105.95 3knh h GLY 80 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3knh h GLY 80 CO 0.02 0.10 -0.16 -2.22 0.00 0.00 0.00 176.54 174.28 3knh h ILE 81 N 0.84 0.00 0.00 2.60 1.08 0.55 -1.57 117.51 121.01 3knh h ILE 81 Ca 0.50 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.97 3knh h ILE 81 Cb 0.65 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 3knh h ILE 81 CO -0.26 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.20 3knh n ALA 82 N -2.34 1.23 -0.06 1.87 0.00 -0.97 -1.16 120.51 119.08 3knh n ALA 82 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 3knh n ALA 82 Cb 0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 3knh n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knh n ARG 83 N -0.91 0.70 0.27 0.00 0.63 -0.62 -4.26 116.66 112.47 3knh n ARG 83 Ca 0.00 0.20 -0.15 0.00 -0.92 0.00 0.00 57.85 56.98 3knh n ARG 83 Cb 0.00 -1.62 -0.08 0.00 0.45 0.00 0.00 32.46 31.21 3knh n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh h ALA 84 N 0.15 -0.70 0.00 5.13 0.00 -0.79 -2.41 119.26 120.64 3knh h ALA 84 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3knh h ALA 84 Cb 1.99 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3knh h ALA 84 CO 0.01 -0.79 0.00 1.47 0.00 0.00 0.00 179.25 179.94 3knh n LEU 85 N -5.31 0.00 -0.10 0.00 -0.00 -1.23 0.66 117.00 111.02 3knh n LEU 85 Ca -0.11 0.29 -0.14 0.00 -0.00 0.00 0.00 56.01 56.05 3knh n LEU 85 Cb 0.32 -0.29 -0.14 0.00 -0.00 0.00 0.00 43.42 43.31 3knh n LEU 85 CO 0.32 -0.27 -1.16 0.55 -0.00 0.00 0.00 177.39 176.83 3knh n VAL 86 N -1.29 1.47 0.28 1.47 3.14 -1.17 -1.43 118.33 120.79 3knh n VAL 86 Ca 0.01 -0.73 -0.15 0.00 -2.96 0.00 0.00 64.34 60.51 3knh n VAL 86 Cb 0.02 -0.95 -0.08 0.00 -1.06 0.00 0.00 33.84 31.77 3knh n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3knh h GLN 87 N 0.00 -0.68 0.00 1.45 4.15 0.06 -0.19 115.11 119.90 3knh h GLN 87 Ca -0.53 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3knh h GLN 87 Cb 2.08 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.93 3knh h GLN 87 CO -0.01 -0.38 0.00 1.88 -1.93 0.00 0.00 178.83 178.39 3knh h TYR 88 N -0.92 0.00 -0.97 3.99 -1.99 0.06 -3.39 116.97 113.75 3knh h TYR 88 Ca -0.07 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.46 3knh h TYR 88 Cb 0.61 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.17 3knh h TYR 88 CO -0.00 0.00 -0.54 0.09 -0.00 0.00 0.00 178.16 177.71 3knh n ASN 89 N -2.82 -3.10 -0.93 3.88 3.02 -0.52 -5.02 115.26 109.76 3knh n ASN 89 Ca 0.02 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 3knh n ASN 89 Cb 0.32 1.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.05 3knh n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3knh n PRO 90 N 2.71 0.81 -0.04 3.52 -0.04 -0.09 -2.22 135.00 139.65 3knh n PRO 90 Ca 0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 3knh n PRO 90 Cb 0.56 -1.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.77 3knh n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knh n ASP 91 N 0.53 1.65 -1.53 3.54 8.00 -1.26 -4.21 116.55 123.27 3knh n ASP 91 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3knh n ASP 91 Cb 0.37 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 3knh n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3knh n TYR 92 N -2.29 0.00 0.03 1.24 4.02 -0.94 -3.42 117.16 115.80 3knh n TYR 92 Ca -0.14 -0.77 -0.06 0.00 -0.01 0.00 0.00 57.90 56.92 3knh n TYR 92 Cb 0.70 -0.43 -0.11 0.00 -0.02 0.00 0.00 39.34 39.48 3knh n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3knh h ARG 93 N 1.43 0.00 -1.45 -0.72 9.65 -1.81 -3.29 114.38 118.19 3knh h ARG 93 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3knh h ARG 93 Cb 0.81 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3knh h ARG 93 CO 0.00 0.67 0.00 0.00 2.80 0.00 0.00 179.97 183.44 3knh n ALA 94 N -2.43 2.16 0.05 2.80 0.00 -1.22 -2.87 120.51 118.99 3knh n ALA 94 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3knh n ALA 94 Cb 0.96 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3knh n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knh n LYS 95 N 0.77 0.00 -0.41 0.00 -0.00 -1.25 -4.70 118.16 112.57 3knh n LYS 95 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 58.31 58.64 3knh n LYS 95 Cb 0.30 0.00 0.61 0.00 -0.00 0.00 0.00 35.03 35.94 3knh n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3knh h LEU 96 N 0.00 0.30 0.00 -5.58 5.85 -1.59 0.24 115.31 114.52 3knh h LEU 96 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3knh h LEU 96 Cb 0.00 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3knh h LEU 96 CO 0.00 -0.11 -0.82 1.17 -0.34 0.00 0.00 178.44 178.34 3knh n LYS 97 N -4.68 0.38 -0.19 1.25 4.81 -1.24 -0.25 118.16 118.24 3knh n LYS 97 Ca 0.34 0.15 -0.01 0.00 -0.87 0.00 0.00 58.31 57.91 3knh n LYS 97 Cb 1.28 -1.16 0.05 0.00 0.02 0.00 0.00 35.03 35.22 3knh n LYS 97 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3knh h PRO 98 N -0.70 -0.00 0.00 1.64 0.11 -1.79 0.77 132.00 132.02 3knh h PRO 98 Ca -0.04 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3knh h PRO 98 Cb 0.76 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3knh h PRO 98 CO -0.02 -0.00 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.23 3knh h LEU 99 N -0.00 0.00 -2.90 2.35 -0.00 -0.79 -3.48 115.31 110.48 3knh h LEU 99 Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 3knh h LEU 99 Cb 0.43 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.12 3knh h LEU 99 CO -0.61 0.46 -0.12 0.61 -0.00 0.00 0.00 178.44 178.79 3knh n GLY 100 N 0.01 0.30 0.31 0.83 0.00 0.27 -5.00 105.19 101.91 3knh n GLY 100 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3knh n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knh n PHE 101 N -1.65 0.27 -3.70 1.61 3.01 0.66 -4.91 117.46 112.74 3knh n PHE 101 Ca -0.01 -0.75 -0.29 0.00 1.01 0.00 0.00 57.45 57.42 3knh n PHE 101 Cb 0.52 -0.13 -0.16 0.00 -0.01 0.00 0.00 39.48 39.70 3knh n PHE 101 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3knh s LEU 102 N -2.00 1.51 0.00 4.37 1.98 -1.10 -4.61 118.68 118.82 3knh s LEU 102 Ca 0.23 -1.23 0.00 0.00 -2.89 0.00 0.00 54.13 50.24 3knh s LEU 102 Cb 0.18 -0.67 0.00 0.00 0.66 0.00 0.00 46.19 46.37 3knh s LEU 102 CO 0.05 -0.37 0.00 0.41 -1.89 0.00 0.00 176.35 174.55 3knh n THR 103 N 5.00 0.00 0.22 3.68 -1.04 -1.26 -4.96 114.28 115.91 3knh n THR 103 Ca -0.06 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.06 3knh n THR 103 Cb 0.44 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.51 3knh n THR 103 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3knh h ARG 104 N 0.00 0.00 -5.87 -2.82 2.47 -1.97 -3.45 114.38 102.74 3knh h ARG 104 Ca 0.00 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.34 3knh h ARG 104 Cb 0.00 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 28.43 3knh h ARG 104 CO 0.00 0.00 -0.78 -3.47 0.56 0.00 0.00 179.97 176.28 3knh n ASP 105 N -2.35 -2.50 -0.12 7.04 4.64 -1.26 -4.68 116.55 117.31 3knh n ASP 105 Ca -0.01 -0.69 -0.01 0.00 -1.38 0.00 0.00 54.79 52.70 3knh n ASP 105 Cb 0.27 -4.67 -0.00 0.00 -1.04 0.00 0.00 41.12 35.67 3knh n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knh n ALA 106 N -4.33 -0.09 0.00 -1.67 0.00 -1.26 -4.48 120.51 108.68 3knh n ALA 106 Ca -0.23 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3knh n ALA 106 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3knh n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 107 N -4.44 0.00 -4.50 0.00 1.74 -1.26 -4.84 116.66 103.36 3knh n ARG 107 Ca 0.02 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3knh n ARG 107 Cb 0.11 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.45 3knh n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3knh s VAL 108 N 0.00 2.07 0.05 1.55 -7.23 -1.26 -4.92 120.40 110.65 3knh s VAL 108 Ca 0.00 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3knh s VAL 108 Cb 0.00 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 3knh s VAL 108 CO 0.00 0.00 1.80 -0.69 -0.31 0.00 0.00 175.10 175.90 3knh s VAL 109 N -2.68 3.00 0.14 1.32 1.01 -1.26 -4.97 120.40 116.95 3knh s VAL 109 Ca 0.36 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 3knh s VAL 109 Cb 0.08 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 3knh s VAL 109 CO 0.19 -0.01 0.51 -1.83 0.00 0.00 0.00 175.10 173.95 3knh s GLU 110 N 3.49 3.89 0.25 2.72 -1.05 -1.26 -5.03 118.70 121.71 3knh s GLU 110 Ca 0.80 0.37 -0.28 0.00 -0.15 0.00 0.00 54.97 55.71 3knh s GLU 110 Cb -0.41 -2.91 -0.15 0.00 -0.44 0.00 0.00 34.13 30.21 3knh s GLU 110 CO 0.36 0.48 0.85 -2.13 0.95 0.00 0.00 175.26 175.77 3knh n ARG 111 N 0.71 0.89 -2.52 -4.83 0.63 -1.26 -4.70 116.66 105.57 3knh n ARG 111 Ca -0.05 0.31 -0.42 0.00 -0.92 0.00 0.00 57.85 56.77 3knh n ARG 111 Cb 0.52 -1.56 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 3knh n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3knh s LYS 112 N -1.32 3.49 0.56 -0.14 2.20 -1.26 -3.84 119.74 119.43 3knh s LYS 112 Ca 0.61 0.36 -0.17 0.00 -0.36 0.00 0.00 55.97 56.41 3knh s LYS 112 Cb -0.79 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 31.45 3knh s LYS 112 CO 0.58 -1.71 1.07 0.15 -0.36 0.00 0.00 175.35 175.08 3knh s LYS 113 N 5.05 3.42 0.32 4.03 3.01 -1.25 -4.62 119.74 129.70 3knh s LYS 113 Ca 0.47 1.32 -0.28 0.00 -1.01 0.00 0.00 55.97 56.47 3knh s LYS 113 Cb -0.09 -2.04 -0.09 0.00 -1.01 0.00 0.00 37.83 34.60 3knh s LYS 113 CO 0.26 -0.74 1.14 1.52 0.51 0.00 0.00 175.35 178.04 3knh s TYR 114 N -2.21 3.38 0.00 3.18 -0.00 -1.26 -2.66 117.35 117.77 3knh s TYR 114 Ca 0.66 1.63 0.00 0.00 -0.00 0.00 0.00 57.07 59.36 3knh s TYR 114 Cb -0.17 -3.35 0.00 0.00 -0.00 0.00 0.00 41.96 38.44 3knh s TYR 114 CO 0.31 -0.88 0.00 0.41 -0.00 0.00 0.00 175.55 175.38 3knh n GLY 115 N 0.95 0.64 3.16 5.49 0.00 -1.26 -4.98 105.19 109.18 3knh n GLY 115 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3knh n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knh s LYS 116 N -0.49 0.62 0.08 1.61 -0.14 -1.09 -4.58 119.74 115.76 3knh s LYS 116 Ca 0.00 0.19 0.04 0.00 -1.36 0.00 0.00 55.97 54.84 3knh s LYS 116 Cb 0.00 0.17 0.29 0.00 -1.68 0.00 0.00 37.83 36.61 3knh s LYS 116 CO 0.00 -1.03 0.36 0.72 -0.76 0.00 0.00 175.35 174.64 3knh n HIS 117 N 4.95 0.25 -3.33 3.18 8.25 -0.56 -2.95 115.22 125.01 3knh n HIS 117 Ca 0.08 0.27 -0.22 0.00 -0.26 0.00 0.00 57.72 57.59 3knh n HIS 117 Cb 0.56 -0.74 -0.09 0.00 1.12 0.00 0.00 29.99 30.85 3knh n HIS 117 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3knh s LYS 118 N -4.42 0.75 0.00 -0.41 1.02 -1.19 -4.91 119.74 110.57 3knh s LYS 118 Ca -0.02 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.55 3knh s LYS 118 Cb 0.08 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 3knh s LYS 118 CO 0.18 -1.28 0.00 0.00 -0.92 0.00 0.00 175.35 173.33 3knh n ALA 119 N 3.58 0.00 0.01 5.17 0.00 -1.15 -2.65 120.51 125.47 3knh n ALA 119 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3knh n ALA 119 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3knh n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 120 N 0.00 0.00 -1.08 0.00 1.74 -1.26 -3.92 116.66 112.13 3knh n ARG 120 Ca 0.00 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.57 3knh n ARG 120 Cb 0.00 -0.25 -0.10 0.00 -1.02 0.00 0.00 32.46 31.09 3knh n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3knh n ARG 121 N -2.86 0.00 -3.00 5.56 0.00 -1.08 -4.78 116.66 110.50 3knh n ARG 121 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 3knh n ARG 121 Cb 0.21 -1.25 0.01 0.00 0.00 0.00 0.00 32.46 31.43 3knh n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knh s ALA 122 N 4.76 4.52 0.69 5.13 0.00 -1.26 -1.50 121.76 134.11 3knh s ALA 122 Ca 0.99 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 3knh s ALA 122 Cb -1.25 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 20.25 3knh s ALA 122 CO 0.56 -0.31 1.12 -1.25 0.00 0.00 0.00 175.76 175.88 3knh s PRO 123 N -4.37 2.58 0.32 0.00 0.04 -1.26 -4.83 135.00 127.47 3knh s PRO 123 Ca 0.55 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 3knh s PRO 123 Cb -0.10 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3knh s PRO 123 CO 0.33 -1.42 1.30 -1.14 0.04 0.00 0.00 177.00 176.11 3knh s GLN 124 N -4.24 4.38 0.39 4.56 0.74 -1.26 -5.00 119.66 119.22 3knh s GLN 124 Ca 0.67 2.18 -0.08 0.00 0.05 0.00 0.00 55.36 58.18 3knh s GLN 124 Cb -0.21 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 3knh s GLN 124 CO 0.45 -0.17 0.71 -0.47 -0.55 0.00 0.00 175.29 175.26 3knh s TYR 125 N -1.02 3.49 0.00 1.67 6.04 -1.26 -5.06 117.35 121.21 3knh s TYR 125 Ca 0.49 0.87 0.00 0.00 0.04 0.00 0.00 57.07 58.47 3knh s TYR 125 Cb -0.39 -2.31 0.00 0.00 -1.04 0.00 0.00 41.96 38.22 3knh s TYR 125 CO 0.51 -0.06 0.00 0.43 -1.54 0.00 0.00 175.55 174.89 3knh n SER 126 N -1.40 0.00 -2.82 4.32 7.64 -1.26 -5.08 113.62 115.01 3knh n SER 126 Ca 0.01 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.85 3knh n SER 126 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3knh n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3knh n LYS 127 N -0.91 -1.67 0.00 1.43 4.81 -1.26 -5.36 118.16 115.19 3knh n LYS 127 Ca 0.00 1.69 0.00 0.00 -0.87 0.00 0.00 58.31 59.13 3knh n LYS 127 Cb 0.00 -5.33 0.00 0.00 0.02 0.00 0.00 35.03 29.72 3knh n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46